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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405317 135073469 1 SO3N4C12H16 AB3C4D12E16 -34.27 4.38 -9.73 -1.21 0
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405318 135073471 1 NOC18H27 ABC18D27 -46.54 0.72 -9.29 0.45 0
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405319 135073472 1 NO2H21C22 AB2C21D22 -27.97 4.36 -8.55 -0.93 0
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405320 135073473 1 O2N4H8C13 A2B4C8D13 106.91 5.02 -9.96 -1.87 0
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405321 135073475 1 NO4C13H17 AB4C13D17 -109.03 1.24 -8.94 -0.21 0
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405322 135073477 1 SiN2C20H30 AB2C20D30 0.11 0.54 -8.97 -0.28 0
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405323 135073478 1 N2O5C17H26 A2B5C17D26 -194.9 1.67 -8.05 0.19 0
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405324 135073479 1 O5C20H34 A5B20C34 -217.48 4.54 -9.24 0.16 0
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405325 135073481 1 O3C30H34 A3B30C34 -43.41 3.49 -8.73 0.09 0
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405326 135073482 1 SeO5C20H24 AB5C20D24 -183.7 4.1 -8.5 -0.58 0
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405327 135073483 2 OC6H10 AB6C10 -21.65 1.87 -9.14 0.37 0
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405328 135073487 2 O3C16H22 A3B16C22 -214.0 3.66 -9.15 0.16 0
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405329 135073488 1 OC18H26 AB18C26 -29.5 1.75 -9.1 0.47 0
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405330 135073489 1 ON4H8C12 AB4C8D12 68.0 3.4 -10.26 -1.43 0
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405331 135073494 2 OC10H13 AB10C13 -38.56 3.5 -8.94 0.17 0
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405332 135073521 1 ClNSO3C14H16 ABCD3E14F16 -68.47 4.31 -10.01 -0.88 0
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405333 135073553 1 SO2C20H26 AB2C20D26 -54.24 4.2 -9.22 -0.56 0
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405334 135073556 1 NO5C16H19 AB5C16D19 -126.46 0.71 -9.15 -0.34 0
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405335 135073557 2 O2C8H9 A2B8C9 -117.68 2.01 -9.37 0.07 0
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405336 135073558 1 O4C15H16 A4B15C16 -112.07 0.75 -9.25 -0.13 0
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405337 135073559 2 O2C8H9 A2B8C9 -123.01 1.67 -9.33 0.0 0
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405338 135073562 1 BrOC11H17 ABC11D17 -40.3 2.84 -9.6 -0.04 0
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405340 135073565 1 N2O11C16H28 A2B11C16D28 -512.62 8.44 -9.82 0.24 0
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405341 135073566 1 ClN2O9C12H13 AB2C9D12E13 -213.1 7.12 -10.75 -1.94 0
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405342 135073567 1 O10C17H24 A10B17C24 -408.05 5.39 -10.07 -0.59 0
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405343 135073568 1 NO2C11H17 AB2C11D17 -73.84 3.09 -10.97 -0.85 0
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405344 135073569 1 SP3N7O19C31H44 AB3C7D19E31F44 -937.01 7.69 -8.89 -1.15 0
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405345 135073570 1 SC11H14 AB11C14 40.93 2.39 -7.56 0.2 0
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405346 135073571 1 SC17H24 AB17C24 7.8 6.27 -7.26 0.85 0
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405347 135073572 1 SN3O3H19C22 AB3C3D19E22 22.4 1.65 -8.57 -0.98 0
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405348 135073575 1 SN2O3C20H20 AB2C3D20E20 -33.47 8.16 -8.74 -1.1 0
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405349 135073576 1 SN4O9C30H34 AB4C9D30E34 -270.73 9.33 -8.5 -1.46 1
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405350 135073577 1 SN4O9C30H35 AB4C9D30E35 -273.58 12.87 0.0 0.0 0
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405351 135073578 2 OC8H11 AB8C11 -42.91 2.43 -8.77 -0.14 0
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405352 135073579 1 SO2C16H16 AB2C16D16 10.82 3.64 -8.49 -0.57 0
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405353 135073580 1 OF3H11C16 AB3C11D16 -102.01 5.54 -8.91 -0.68 0
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405354 135073581 1 O3C16H24 A3B16C24 -112.74 3.9 -8.72 0.28 0
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405355 135073582 1 OPC15H17 ABC15D17 -37.12 5.16 -9.31 0.03 0
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405356 135073583 1 OPC24H35 ABC24D35 -59.02 4.96 -9.1 0.04 0
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405357 135073584 1 BrNOC24H24 ABCD24E24 12.11 4.73 -8.96 -0.26 0
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405358 135073585 1 BrNO3C24H24 ABC3D24E24 -47.26 4.65 -8.78 -0.08 0
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405359 135073603 1 NO2C18H19 AB2C18D19 -25.39 4.95 -9.06 -0.11 0
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405360 135073606 1 SN2O5C14H18 AB2C5D14E18 -146.64 4.34 -8.67 -1.05 0
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405361 135073637 1 SO2C18H18 AB2C18D18 -12.72 9.11 -9.32 -0.61 0
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405362 135073641 1 OC11H12 AB11C12 -1.54 0.42 -9.21 0.15 0
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405363 135073642 1 NBr2O2C7H7 AB2C2D7E7 2.71 2.37 -9.22 -1.06 0
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405364 135073660 1 BrNO4C20H22 ABC4D20E22 -107.34 1.64 -9.03 -0.29 0
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405365 135073690 1 OSiC20H28 ABC20D28 13.15 2.99 -9.13 -0.12 0
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405366 135073693 1 NO5C25H35 AB5C25D35 -223.26 1.3 -8.26 0.14 0
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405367 135073694 1 NO5C19H23 AB5C19D23 -169.32 1.33 -8.26 0.11 0
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405368 135073695 1 N2O3C19H24 A2B3C19D24 -67.35 1.2 -8.71 0.03 0
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405369 135073696 1 O8C19H24 A8B19C24 -320.62 3.03 -9.12 -0.07 0
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405370 135073697 2 O4C12H13 A4B12C13 -283.3 3.56 -9.07 -0.14 0
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405371 135073699 1 O5C18H24 A5B18C24 -210.58 3.9 -9.56 0.2 0
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405372 135073700 1 BrFNOC10H11 ABCDE10F11 -47.73 2.97 -8.67 -0.34 0
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405373 135073701 1 N2O3C18H22 A2B3C18D22 -54.7 3.59 -8.48 -0.06 0
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405374 135073702 1 N2O3C23H26 A2B3C23D26 -53.77 3.5 -8.24 0.11 0
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405375 135073704 1 ClNO5C15H18 ABC5D15E18 -190.92 1.4 -10.31 -0.65 0
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405376 135073705 1 NO4C14H17 AB4C14D17 -131.5 2.81 -9.92 -0.31 0
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405377 135073706 1 O3C19H20 A3B19C20 -70.29 4.03 -9.55 -0.08 0
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405378 135073707 1 BrFOH14C16 ABCD14E16 -43.68 2.11 -9.64 -1.1 0
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405379 135073709 1 NSO3H21C27 ABC3D21E27 41.04 6.61 -8.95 -1.29 0
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405380 135073710 1 N3O4H17C20 A3B4C17D20 -70.0 10.07 -9.97 -1.58 0
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405381 135073711 1 BrNSO6H24C28 ABCD6E24F28 -100.54 7.53 -9.5 -0.82 0
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405382 135073713 1 BO2C21H27 AB2C21D27 -142.99 3.36 -8.98 0.57 0
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405383 135073714 1 ClOSiZnC22H23 ABCDE22F23 62.63 12.89 -5.76 -2.2 0
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405384 135073717 1 NOCl2H9C11 ABC2D9E11 18.9 5.12 -9.26 -0.26 0
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405385 135073720 1 NO50C62H103 AB50C62D103 -2221.02 4.38 -10.06 0.14 0
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405386 135073721 1 NO13C18H25 AB13C18D25 -462.0 8.81 -9.9 -1.16 0
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405387 135073722 2 N2O3C5H9 A2B3C5D9 -210.14 5.85 -9.9 -0.04 0
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405388 135073723 1 O17H28C32 A17B28C32 -628.21 2.94 -9.75 -1.17 0
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405389 135073725 2 O3C6H7 A3B6C7 -223.86 1.16 -9.62 -0.06 0
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405390 135073727 1 O5H14C17 A5B14C17 -81.96 2.19 -8.85 -0.54 0
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405391 135073728 1 ClN3O3H12C14 AB3C3D12E14 -26.51 3.19 -9.21 -0.7 0
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405392 135073729 1 ClSO2N3H16C21 ABC2D3E16F21 53.12 3.84 -9.09 -1.12 0
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405393 135073730 1 NSO5C22H27 ABC5D22E27 -139.95 5.32 -9.12 -0.78 0
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405394 135073731 1 NPO5C11H16 ABC5D11E16 -243.62 4.11 -8.85 -0.38 0
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405395 135073732 1 PO2C15H21 AB2C15D21 -115.2 3.78 -8.73 -0.16 0
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405396 135073738 1 BrNOH22C23 ABCD22E23 23.05 3.53 -9.16 -0.12 0
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405397 135073741 1 NO2C18H19 AB2C18D19 -36.0 2.68 -8.91 -0.37 0
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405398 135073762 1 BrNSSiO2F3C14H19 ABCDE2F3G14H19 -221.88 5.47 -9.6 -1.0 0
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405399 135073766 1 NSO2H21C24 ABC2D21E24 -5.73 5.73 -8.52 -0.53 0
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405400 135073773 1 NSO2F6H9C10 ABC2D6E9F10 -371.23 5.56 -10.32 -1.07 0
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405401 135073791 1 NSO3H13C14 ABC3D13E14 -54.7 2.97 -8.75 -0.86 0
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405402 135073813 1 NO2F5H12C22 AB2C5D12E22 -156.24 3.63 -9.26 -1.8 0
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405403 135073827 1 OSiC19H26 ABC19D26 6.96 2.25 -9.2 -0.16 0
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405404 135073844 1 NO3C15H17 AB3C15D17 -93.36 5.76 -8.94 -0.51 0
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405405 135073846 1 NSO3H17C18 ABC3D17E18 -31.69 4.17 -8.59 -0.81 0
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405406 135073847 1 ON3H17C18 AB3C17D18 74.55 4.95 -8.96 -0.46 0
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405407 135073848 1 ClON3H14C17 ABC3D14E17 74.49 4.28 -9.28 -0.66 0
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405408 135073849 1 N3O5H25C27 A3B5C25D27 -129.58 4.62 -9.72 -1.74 0
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405409 135073851 1 NO5C14H15 AB5C14D15 -171.96 4.61 -9.83 -0.99 0
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405410 135073852 1 O4C13H16 A4B13C16 -153.36 2.79 -9.14 -0.42 0
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405411 135073853 2 O2C3N3H5 A2B3C3D5 -38.64 5.73 -10.05 -0.19 0
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405412 135073855 1 BrSO2C19H27 ABC2D19E27 -90.35 3.27 -8.56 -0.37 0
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405413 135073856 1 O2N3C25H33 A2B3C25D33 -27.63 7.02 -7.54 -0.25 1
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405414 135073857 1 O2N3C25H34 A2B3C25D34 -21.68 2.76 0.0 0.0 0
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405415 135073858 1 IOH19C25 ABC19D25 81.48 2.9 -8.57 -0.67 0
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405416 135073860 1 ClIOH6C7 ABCD6E7 -20.81 2.28 -9.11 -0.99 0
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405417 135073861 1 SP3N8O17C30H45 AB3C8D17E30F45 -877.28 13.31 -9.05 -0.54 0